U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H4N2O8S.2Na
Molecular Weight 358.192
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXT. D&C YELLOW NO. 7

SMILES

[Na+].[Na+].[O-]C1=C(C=C(C2=C1C=C(C=C2)S([O-])(=O)=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=CTIQLGJVGNGFEW-UHFFFAOYSA-L
InChI=1S/C10H6N2O8S.2Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;;/h1-4,13H,(H,18,19,20);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C10H4N2O8S
Molecular Weight 312.212
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
08F8S9O3I5
Record Status Validated (UNII)
Record Version